SCHEMBL3719346

SCHEMBL3719346

O=C(NCc1ccc(O)cc1)N(Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.70
SLC6A2 P23975 3/20 0.52
SLC6A3 Q01959 3/20 0.52
HRH3 Q9Y5N1 2/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
HTR2C P28335 1/20 0.52
GPR183 P32249 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
APLNR P35414 1/20 0.52
DRD3 P35462 1/20 0.52
CX3CR1 P49238 1/20 0.52
KCNH2 Q12809 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25570024 0.86 HTR2A (0.62) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25570037 0.86 HTR2A (0.73) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL25570119 0.85 HTR2A (0.74) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL3716947 0.85 HTR2A (0.73) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL3768820 0.84 HTR2A (0.72) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL3959120 0.84 HTR2A (0.72) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL3946598 0.84 HTR2A (0.79) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL6203103 0.84 HTR2A (0.79) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL25570686 0.84 HTR2A (0.76) HTR2ASLC6A2SLC6A3HRH3ABCB11
SCHEMBL25570727 0.84 HTR2A (0.76) HTR2ASLC6A2SLC6A3HRH3ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed